![METHYL-3-ALPHA,7-ALPHA-BIS-[(PHENYLAMINOCARBONYL)-OXY]-12-ALPHA-AMINO-5-BETA-CHOLAN-24-OATE-TRIFLUOROACETATE](/api/spectrum/EiOS0q9TQ23/structure.png?h=300&w=458 "METHYL-3-ALPHA,7-ALPHA-BIS-[(PHENYLAMINOCARBONYL)-OXY]-12-ALPHA-AMINO-5-BETA-CHOLAN-24-OATE-TRIFLUOROACETATE")
| SpectraBase Compound ID | E8JZYtcQvmJ |
|---|---|
| InChI | InChI=1S/C39H53N3O6.C2HF3O2/c1-24(15-18-34(43)46-4)29-16-17-30-35-31(23-33(40)39(29,30)3)38(2)20-19-28(47-36(44)41-26-11-7-5-8-12-26)21-25(38)22-32(35)48-37(45)42-27-13-9-6-10-14-27;3-2(4,5)1(6)7/h5-14,24-25,28-33,35H,15-23,40H2,1-4H3,(H,41,44)(H,42,45);(H,6,7)/t24-,25+,28-,29-,30+,31+,32-,33+,35+,38+,39-;/m1./s1 |
| InChIKey | FTARVYGYRHVUCK-LBKPPQEQSA-N |
| Mol Weight | 773.9 g/mol |
| Molecular Formula | C41H54F3N3O8 |
| Exact Mass | 773.3863 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EiOS0q9TQ23 |
|---|---|
| Name | METHYL-3-ALPHA,7-ALPHA-BIS-[(PHENYLAMINOCARBONYL)-OXY]-12-ALPHA-AMINO-5-BETA-CHOLAN-24-OATE-TRIFLUOROACETATE |
| Compound Number | E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H54F3N3O8 |
| InChI | InChI=1S/C39H53N3O6.C2HF3O2/c1-24(15-18-34(43)46-4)29-16-17-30-35-31(23-33(40)39(29,30)3)38(2)20-19-28(47-36(44)41-26-11-7-5-8-12-26)21-25(38)22-32(35)48-37(45)42-27-13-9-6-10-14-27;3-2(4,5)1(6)7/h5-14,24-25,28-33,35H,15-23,40H2,1-4H3,(H,41,44)(H,42,45);(H,6,7)/t24-,25+,28-,29-,30+,31+,32-,33+,35+,38+,39-;/m1./s1 |
| InChIKey | FTARVYGYRHVUCK-LBKPPQEQSA-N |
| Literature Reference Author | L.SIRACUSA,F.M.HURLEY,S.DRESEN,L.J.LAWLESS,M.N.PEREZ-PAYAN,A .P.DAVIS |
| Literature Reference Citation | ORG.LETTERS,4,4639(2002) |
| Literature Reference DOI | 10.1021/ol027009l |
| Molecular Weight | 773.890 g/mol |
| Sample ID | 38107 |
| Solvent | CDCl3 |